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Population Diversity of n–Alkanes in the Needle Cuticular Wax of Relicts Pinus heldreichii and P. peuce from the Scardo-Pindic Mountains Scardo Pindic山heldreichii和P.peuce遗迹针皮蜡中n-烷烃的种群多样性
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-06-11 DOI: 10.20450/mjcce.2020.1951
B. Nikolić, I. Đorđević, M. Todosijević, Z. Mitić, S. Bojovic, P. Marin
{"title":"Population Diversity of n–Alkanes in the Needle Cuticular Wax of Relicts Pinus heldreichii and P. peuce from the Scardo-Pindic Mountains","authors":"B. Nikolić, I. Đorđević, M. Todosijević, Z. Mitić, S. Bojovic, P. Marin","doi":"10.20450/mjcce.2020.1951","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1951","url":null,"abstract":"The variability of n-alkanes in the needle cuticular wax of Pinus heldreichii and P. peuce in two natural populations from the Scardo-Pindic mountains was investigated for the first time. Gas chromatography (GC) and gas chromatography/mass spectrometry (GC–MS) analyses of two-year-old needles were performed using an Agilent 7890A GC equipped with an inert 5975C XL EI/CI mass spectrometer detector (MSD) and a flame ionization detector (FID) connected by a capillary flow technology 2-way splitter with make-up. An HP-5MS capillary column was used. n-Alkanes ranged from C19 to C33. In P. heldreichii the most abundant were C23, C25 and C27 (16.3, 15.6 and 12.8% on average, respectively), while in P. peuce they were C29, C25, and C27 (16.5, 15.3 and 13.5% on average, resp.). Mid-chain and long-chain n-alkanes prevailed in both species. Principle component analysis (PCA) and Cluster analyses of five and six n-alkanes, respectively, showed divergence of the Scardo-Pindic populations from the Dinaric ones.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2020-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45285182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Novel Pyrazole Derivatives Having Mono/Di Chiral Centered Group as Organocatalyst for Henry Reaction 具有单/双手性中心基团的新型吡唑衍生物作为亨利反应的有机催化剂
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-06-09 DOI: 10.20450/mjcce.2020.1954
A. Cetin, I. Bildirici, S. Gümüş
{"title":"Novel Pyrazole Derivatives Having Mono/Di Chiral Centered Group as Organocatalyst for Henry Reaction","authors":"A. Cetin, I. Bildirici, S. Gümüş","doi":"10.20450/mjcce.2020.1954","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1954","url":null,"abstract":"The chiral substituted pyrazole-3-carboxamides ( 4a-c ), pyrazole-3-carboxylates ( 5a-c ), pyrazole-3-thioureides ( 7a-c ) and pyrazole-3,4-dicarboxamides ( 10a-c ) were prepared via the pyrazolo-3-chlorocarbonyl 2 , pyrazolo-3,4-dicarboxy methyl ester 3 with pyrazole-3-isothiocyanate 6 with different ( R )-chiral amino alcohols. All of the synthesized chiral compounds binding a pyrazole skeleton were investigated as organocatalysts for asymmetric aldol reactions between nitromethane and p -nitrobenzaldehyde in the presence of CuCl. Enantiomeric excesses and the reaction yields were found to be appropriate values. Furthermore, the best organocatalyst applied in this study was identified after careful optimization of conditions. Lastly, all of the novel compounds were subjected to computational analysis at the B3LYP/6-31++G(d,p) level of theory to obtain information about their structural and electronic properties.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":"39 1","pages":"17-30"},"PeriodicalIF":1.0,"publicationDate":"2020-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43697338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Natural Radioactivity Levels and Estimation of Radiation Exposure in Agricultural Soils from Skopje City Region 斯科普里市区农业土壤的天然放射性水平和辐射暴露估计
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-06-02 DOI: 10.20450/mjcce.2020.1904
A. Angjeleska, E. Dimitrieska-Stojkovic´, Z. Hajrulai-Musliu, Radmila Crceva-Nikolovska, Boško Boškovski
{"title":"Natural Radioactivity Levels and Estimation of Radiation Exposure in Agricultural Soils from Skopje City Region","authors":"A. Angjeleska, E. Dimitrieska-Stojkovic´, Z. Hajrulai-Musliu, Radmila Crceva-Nikolovska, Boško Boškovski","doi":"10.20450/mjcce.2020.1904","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1904","url":null,"abstract":"The aim of this study was to determine the activity concentrations of naturally occurring radioisotopes 226Ra, 232Th and 40K in 14 soil samples collected in the Skopje city surrounding, and to calculate the corresponding absorbed gamma dose rates. The radionuclides were measured applying a high purity Ge detector gamma-ray spectrometer with relative efficiency of 30 % at 1.33 MeV. The activity concentrations found in 14 soil samples varied in the range 24.1-41.9 Bq kg-1for 226Ra, 38.5-52.2 Bq kg-1 for 232Th, and 502-707 Bq kg-1 for40K. The mean radium equivalent (Raeq), for the area under investigation, was 143±16 Bq kg-1, while the outdoor radiation hazard index (Hex) was 0.39. The total absorbed dose rate due to three primordial radionuclides investigated lay in the range 55.3 - 79.0 nGy h-1 with mean value of 68.1±7.7 nGy h-1, yielding a total annual effective dose of (83.5±9.5) µSv y-1. The assessed radiological factors were lower than the recommended values, indicating low radiological health risk for the population living and working in the investigated area. The activity concentrations of radionuclides in soil samples were compared to the international values reported by United Nations Scientific Committee on the Effects of Atomic Radiation and previous studies on geographically close areas and some worldwide regions. ","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2020-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44993987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
A New Approach to the Total Synthesıs of (±)-Nordasycarpıdone by Rıng-closure wıth Tetrachloro-1,4-benzoquınone 用Rıng-closure wıth四氯-1,4-benzoquınone测定(±)-Nordasycarpıdone总Synthesıs的新方法
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-05-30 DOI: 10.20450/mjcce.2020.1736
N. Uludağ
{"title":"A New Approach to the Total Synthesıs of (±)-Nordasycarpıdone by Rıng-closure wıth Tetrachloro-1,4-benzoquınone","authors":"N. Uludağ","doi":"10.20450/mjcce.2020.1736","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1736","url":null,"abstract":"A new synthetic route for the  (±)-nordasycarpidone was achieved in five steps with an overall yield of  41%. This route involves  ring closure and formation of 5 which has a  methanoazocino[4,3- b ]indole skeleton in the key step. The reaction also involved a cyclization reaction of  tetrahydrocarbazole with a monoalkyl nitrile side chain at the C-2 position, and this reaction was mediated by tetrachloro-1,4-benzoquinone (TCB). The central step in the synthesis was  the closure of the D-ring of the intra-molecular structure and the addition of amine, which resulted in an aza-tetracyclic substructure that contained the ABCD-ring of the strychnos alkaloid family.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":"39 1","pages":"11-16"},"PeriodicalIF":1.0,"publicationDate":"2020-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47277672","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 7
Synthesis of New Organoselenium Compounds: Characterization and Biological Studies 新型有机硒化合物的合成、表征及生物学研究
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-05-30 DOI: 10.20450/mjcce.2020.1912
Nimra Naz, Saima Saqib, R. Ashraf, M. I. Majeed, M. Iqbal
{"title":"Synthesis of New Organoselenium Compounds: Characterization and Biological Studies","authors":"Nimra Naz, Saima Saqib, R. Ashraf, M. I. Majeed, M. Iqbal","doi":"10.20450/mjcce.2020.1912","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1912","url":null,"abstract":"Two new organoselenium analogs, (3,3'-(1,2-phenylenebis(methylene))bis(2-selenoxo-2,3-dihydro-1H-imidazole-3,1-diyl))bis(methylene) dibenzoate (III) and 3,3'-(1,2-phenylenebis(methylene))bis(1-benzyl-1H-imidazole-2(3H)-selenone) (V), were derived from newly synthesized organic salts 1,1'-(1,2-phenylenebis(methylene))bis(3-(2-phenoxyacetyl)-1H-imidazol-3-ium) chloride (II) and 1,1'-(1,2-phenylenebis(methylene))bis(3-benzyl-1H-imidazol-3-ium) chloride (IV), and each was characterized by various analytical techniques, such as Fourier-Transform Infrared Spectroscopy (FT-IR), UV–visible, and Nuclear Magnetic Resonance (NMR) spectroscopy, as well as Ultra-high performance liquid chromatography mass spectrometry/Photodiode array (UHPL-MS/PDA). All synthesized compounds were tested for their antioxidant and anticancer potential. Very good radical scavenging results were obtained for salts II and IV, with cell viability values of 84.6±3.5 and 56.7±5.5%, respectively, compared to their organoselenium adducts. All synthesized products showed significant activity against MCF-7 breast cancer cells, but compounds II and III showed better results, with cell viability values of 40.5±2.0% and 34.4±1.5%, respectively.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2020-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44885533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 10
Investigation of Isobutane Dehydrogenation on CrOx/MCM-41 Catalyst CrOx/MCM-41催化剂上异丁烷脱氢反应的研究
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-05-30 DOI: 10.20450/mjcce.2020.1842
Zuhal Erol, Saliha Kilicarslan, Meltem Doğan
{"title":"Investigation of Isobutane Dehydrogenation on CrOx/MCM-41 Catalyst","authors":"Zuhal Erol, Saliha Kilicarslan, Meltem Doğan","doi":"10.20450/mjcce.2020.1842","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1842","url":null,"abstract":"The syntheses of MCM-41 (Mobil Composition of Matter No. 41) supported chromium oxide cat-alysts at different chromium concentrations (4–10 % by mass) were carried out hydrothermally. The aim of this study was to determine the effect of chromium concentration in the catalyst structure on the chro-mate types and chromium oxidation states, as well as the activity of the catalyst in the isobutane dehydro-genation reaction. Inactive α-Cr2O3 crystals for isobutane dehydrogenation were shown to increase in the catalyst structure as the chromium loading increased. The highest amount of Cr6+ on the catalyst surface was detected in the catalyst (H4-MCM-41) with 4 % chromium by mass. Catalytic tests (T = 600 °C, P = atmospheric pressure, WHSV = 26 h–1) were performed under fixed bed reactor conditions. The high-est isobutane conversion (~60 %) and selectivity (~80 %) were observed on the H4-MCM-41 catalyst, which had the highest amount of Cr6+ and monochromate structures. Catalyst deactivation was not due to coke deposition but, rather, was caused by the formation of inactive α-Cr2O3 crystal structures.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":"39 1","pages":"109-118"},"PeriodicalIF":1.0,"publicationDate":"2020-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47711667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
The Role of the Aluminum Source on the Physicochemical Properties of γ-AlOOH Nanoparticles 铝源对γ-AlOOH纳米粒子理化性质的影响
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-05-28 DOI: 10.20450/mjcce.2020.1929
Rafael Romero Toledo, L. M. Esparza, J. Rosales
{"title":"The Role of the Aluminum Source on the Physicochemical Properties of γ-AlOOH Nanoparticles","authors":"Rafael Romero Toledo, L. M. Esparza, J. Rosales","doi":"10.20450/mjcce.2020.1929","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1929","url":null,"abstract":"The effect on the physicochemical properties of aluminum salts on the synthesis of γ-AlOOH nanostructures has been investigated in detail using a hydrolysis-precipitation method. X-ray fluorescence (XRF), Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), field-emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM), were used to characterize the synthesized samples. The specific surface area, pore size distribution and pore diameter of the different γ-AlOOH structures were discussed by the N 2 adsorption-desorption analysis. According to the results of the nanostructure, characterization revealed that for synthesized γ-AlOOH nanostructures from AlCl 3 and Al(NO 3 ) 3 , obvious XRD peaks corresponding to the bayerite phase are found indicating an impure γ-AlOOH phase. Furthermore, the nitrogen adsorption-desorption analysis indicated that the obtained γ-AlOOH nanoparticles from Al 2 (SO 4 ) 3 of technical grade (95.0 % of purity) and low cost, possess a high BET surface area of approximately 350 m 2 /g, compared to the obtained nanostructures from aluminum sources reactive grade, which was attributed to the presence of Mg (0.9 wt.%) in its nanostructure.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":"39 1","pages":"89-99"},"PeriodicalIF":1.0,"publicationDate":"2020-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49107859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Synthesis of New Pt(II) Complex Bearing Organoselenium Ligands and Evaluation of Cytotoxic Activity of Some Structurally Related Pd(II) Complexes 含有机硒配体的新型铂(II)配合物的合成及一些结构相关铂(II)配合物的细胞毒活性评价
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-05-28 DOI: 10.20450/mjcce.2020.1905
Ninko Radenković, M. Kostić, Nataša Đorđević, Z. Dolicanin, T. Soldatović, M. Zivanovic, V. Divac
{"title":"Synthesis of New Pt(II) Complex Bearing Organoselenium Ligands and Evaluation of Cytotoxic Activity of Some Structurally Related Pd(II) Complexes","authors":"Ninko Radenković, M. Kostić, Nataša Đorđević, Z. Dolicanin, T. Soldatović, M. Zivanovic, V. Divac","doi":"10.20450/mjcce.2020.1905","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1905","url":null,"abstract":"Herein we report the synthesis of new trans-bis(2-phenylselenylmethyl)oxolane)dichloroplatinum(II) complex Pt1. Newly synthetized complex, together with two, structurally related trans-Pd(II) complexes (trans-bis(2-(phenylselenylmethyl)oxolane)dichloropalladium(II) Pd1 and trans-bis(2-(phenylselenylmethyl)oxane)dichloropalladium(II)) Pd2, were screened for cytotoxic activity through in vitro study on the HCT-116 colorectal carcinoma cell line and on the MRC-5 healthy lung pleura cell line. Activity of complexes was assessed by comparing it to the cisplatin. The cells viability and proliferation were determined using MTT assay.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2020-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43114419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
CO2/N2 Separation by Supported Ionic Liquid Membranes Based on Tubular Ceramic Support Impregnated with Selected Ionic Liquid 浸渍选定离子液体的管状陶瓷载体负载型离子液体膜分离CO2/N2
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-05-28 DOI: 10.20450/mjcce.2020.1721
Z. Ziobrowski, A. Rotkegel
{"title":"CO2/N2 Separation by Supported Ionic Liquid Membranes Based on Tubular Ceramic Support Impregnated with Selected Ionic Liquid","authors":"Z. Ziobrowski, A. Rotkegel","doi":"10.20450/mjcce.2020.1721","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1721","url":null,"abstract":"The separation of CO 2 /N 2 by supported ionic liquid membranes (SILMs) is presented. SILMs have been developed by impregnation of the ceramic support nanopores of  commercial PDMS (polidimethylosiloxane) membranes (made by Pervatech BV) and commercial microfiltration membranes (made by Inopor) with 1-ethyl-3-methylimidazolium acetate ([Emim][Ac]). Comparison of separation efficiency of SILMs prepared on the same ceramic support shows that SILMs based on PDMS membranes show good stability and very high CO 2 /N 2 selectivity. Yhe obtained results present an inexpensive alternative in selective CO 2 /N 2 separation by SILMs, especially when the choice of selectivity is the first priority. The comparison with Robeson upper bond correlation and literature data shows that applying the ionic liquid and appropriate impregnating method to the PDMS membranes results in significant improvement of separation performance.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":"39 1","pages":"101-108"},"PeriodicalIF":1.0,"publicationDate":"2020-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46844394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Theoretical and Experimental Study on Hydrogen-bonding Interactions between 4H-1,2,4-triazole-3,5-diamine and DMSO/water 4H-1,2,4-三唑-3,5-二胺与二甲基亚砜/水氢键相互作用的理论与实验研究
IF 1 4区 化学
Macedonian Journal of Chemistry and Chemical Engineering Pub Date : 2020-05-28 DOI: 10.20450/mjcce.2020.1926
Mustafa Tuğfan Bilkan
{"title":"A Theoretical and Experimental Study on Hydrogen-bonding Interactions between 4H-1,2,4-triazole-3,5-diamine and DMSO/water","authors":"Mustafa Tuğfan Bilkan","doi":"10.20450/mjcce.2020.1926","DOIUrl":"https://doi.org/10.20450/mjcce.2020.1926","url":null,"abstract":"In this paper, 4TZDA-DMSO/water complexes formed by hydrogen bonding interactions were investigated by a combined experimental and computational approach. Two conformations of 4TZDA molecule were considered. Seven hydrogen-bonded 4TZDA-DMSO/H 2 O complexes were characterized in terms of geometries, energies and vibrational frequencies. The optimizations and calculations were performed for the complexes by Density Functional Theory. In the experimental part, the DMSO/H 2 O solutions of 4TZDA were prepared and infrared spectra of the solutions were recorded. After the solvation process, significant shifts in the existing bands and new band rising were observed in the experimental spectra of 4TZDA. Following results are found from this study: 1) 4TZDA (I) is more stable than 4TZDA (II). 2) Seven 4TZDA-DMSO and 4TZDA-H 2 O complexes are investigated and it is seen that all nitrogen atoms of 4TZDA are hydrogen bond acceptor and all hydrogen atoms are hydrogen bond donors. 3) Aqueous complexes of 4TZDA are found to form stronger hydrogen bonds compared to DMSO complexes. 4) It is determined that the most stable structures are intermolecular interactions of lpO⋯H-N and lpN⋯H-O type for the complexes. For these interactions, h-bond lengths are calculated as 1.78 and 1.90 A and interaction energies are -7.10 kJ/mol for 4TZDA-DMSO and -50.5 kJ/mol for 4TZDA-H 2 O. Because of this energy difference in the complexes, it can be said 4TZDA forms more stable complexes with water molecules compared to DMSO molecules and with this property, it is an ideal molecule for pharmacological purposes.","PeriodicalId":18088,"journal":{"name":"Macedonian Journal of Chemistry and Chemical Engineering","volume":"39 1","pages":"65-76"},"PeriodicalIF":1.0,"publicationDate":"2020-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49388354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
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